CHEBI:85713 - 3-methylindolyl precursor of nosiheptide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-methylindolyl precursor of nosiheptide ChEBI ID CHEBI:85713 Definition A heterodetic cyclic peptide that is an intermediate in the biosynthesis of nosiheptide by Streptomyces actuosus Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C53H45N13O12S6 Net Charge 0 Average Mass 1248.39400 Monoisotopic Mass 1247.16349 InChI InChI=1S/C53H45N13O12S6/c1-6-27-48-54-15-36(84-48)45(74)60-30(13-14-37(68)69)50-65-33(19-82-50)43(72)61-35(20-83-53(78)38-21(2)25-9-7-8-10-28(25)57-38)51-62-31(16-80-51)40-26(47-63-34(17-79-47)44(73)66-39(24(5)67)46(75)59-27)11-12-29(58-40)49-64-32(18-81-49)42(71)55-22(3)41(70)56-23(4)52(76)77/h6-12,15-19,24,30,35,39,57,67H,3-4,13-14,20H2,1-2,5H3,(H,55,71)(H,56,70)(H,59,75)(H,60,74)(H,61,72)(H,66,73)(H,68,69)(H,76,77)/b27-6-/t24-,30+,35+,39+/m1/s1 InChIKey MMGRHNBDIMLRQF-AKJSKULZSA-N SMILES C\C=C1/NC(=O)[C@@H](NC(=O)c2csc(n2)-c2ccc(nc2-c2csc(n2)[C@H](CSC(=O)c2[nH]c3ccccc3c2C)NC(=O)c2csc(n2)[C@H](CCC(O)=O)NC(=O)c2cnc1s2)-c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)[C@@H](C)O Metabolite of Species Details Streptomyces actuosus (NCBI:txid1885) of strain ATCC 25421 See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methylindolyl precursor of nosiheptide (CHEBI:85713) has role bacterial metabolite (CHEBI:76969) 3-methylindolyl precursor of nosiheptide (CHEBI:85713) is a azamacrocycle (CHEBI:52898) 3-methylindolyl precursor of nosiheptide (CHEBI:85713) is a heterodetic cyclic peptide (CHEBI:24533) Citation Type Source 19678698 PubMed citation SUBMITTER Last Modified 06 July 2016